4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine

C15H19ClN4 — CID 101080049

IUPAC4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(CCc2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-3-20(4-2)15-18-13(17-14(16)19-15)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGVOBOHMYLVQBBH-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.16
Rot. Bonds6

About 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine (PubChem CID 101080049) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine
PubChem CID101080049
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(CCc2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-3-20(4-2)15-18-13(17-14(16)19-15)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGVOBOHMYLVQBBH-UHFFFAOYSA-N
XLogP3.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine (CID 101080049) is 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(CCc2ccccc2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The InChIKey is GVOBOHMYLVQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-20(4-2)15-18-13(17-14(16)19-15)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine has a molecular weight of 290.80 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2-phenylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 101080049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).